(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane

C10H19FO2 — CID 89090354

IUPAC(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@H]([C@H]1COC(C)(C)O1)C(C)(C)F
InChIInChI=1S/C10H19FO2/c1-7(9(2,3)11)8-6-12-10(4,5)13-8/h7-8H,6H2,1-5H3/t7-,8-/m1/s1
InChIKeyDEQCBBPIOCKTSN-HTQZYQBOSA-N
MW190.26 g/mol
LogP2.52
Rot. Bonds2

About (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 89090354) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID89090354
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@H]([C@H]1COC(C)(C)O1)C(C)(C)F
InChIInChI=1S/C10H19FO2/c1-7(9(2,3)11)8-6-12-10(4,5)13-8/h7-8H,6H2,1-5H3/t7-,8-/m1/s1
InChIKeyDEQCBBPIOCKTSN-HTQZYQBOSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 2-methyl-2-(2-methylpropyl)-
CID 559995
4,5-Dimethyl-2,2-di(propan-2-yl)-1,3-dioxolane
CID 242382
5-Fluoro-2,4-dimethyl-2-propoxyoxolane
CID 59010344
2,2,4-Trifluoro-5-methyl-4-(3-methylbutan-2-yl)-1,3-dioxolane
CID 90715762
4-Butan-2-yl-2,2-difluoro-5-methyl-1,3-dioxolane
CID 143715525
(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 149443426
(4R)-4-[3-(fluoromethyl)-2-methylhexyl]-2,2-dimethyl-1,3-dioxolane
CID 163418644
(4R)-4-[(2S,3S)-3-(fluoromethyl)-2-methylhexyl]-2,2-dimethyl-1,3-dioxolane
CID 166780857
4-Methyl-2,2-di(propan-2-yl)-1,3-dioxolane
CID 242381
1,3-Dioxolane, 2-isopentyl-2-methyl-
CID 560047
1,3-Dioxolane, 2-ethyl-2-isopropyl-4,5-dimethyl-
CID 545674
2,4,5-Trimethyl-2-(2-methylpropyl)-1,3-dioxolane
CID 12914118

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 89090354) is (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane is C[C@H]([C@H]1COC(C)(C)O1)C(C)(C)F.
What is the InChIKey of (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is DEQCBBPIOCKTSN-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19FO2/c1-7(9(2,3)11)8-6-12-10(4,5)13-8/h7-8H,6H2,1-5H3/t7-,8-/m1/s1.
What are the key properties of (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 190.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-3-fluoro-3-methylbutan-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 89090354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).